2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol

C22H25N5O3 — CID 135433099

IUPAC2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol
SMILESNc1nc(NCCN2CCOCC2)cc(-c2cc(-c3ccc(O)cc3)ccc2O)n1
InChIInChI=1S/C22H25N5O3/c23-22-25-19(14-21(26-22)24-7-8-27-9-11-30-12-10-27)18-13-16(3-6-20(18)29)15-1-4-17(28)5-2-15/h1-6,13-14,28-29H,7-12H2,(H3,23,24,25,26)
InChIKeyHSVMDGOACYDAOL-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.55
Rot. Bonds6

About 2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol

2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol (PubChem CID 135433099) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol
PubChem CID135433099
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol
SMILESNc1nc(NCCN2CCOCC2)cc(-c2cc(-c3ccc(O)cc3)ccc2O)n1
InChIInChI=1S/C22H25N5O3/c23-22-25-19(14-21(26-22)24-7-8-27-9-11-30-12-10-27)18-13-16(3-6-20(18)29)15-1-4-17(28)5-2-15/h1-6,13-14,28-29H,7-12H2,(H3,23,24,25,26)
InChIKeyHSVMDGOACYDAOL-UHFFFAOYSA-N
XLogP2.55
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol?
The IUPAC name of 2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol (CID 135433099) is 2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol?
The canonical SMILES for 2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol is Nc1nc(NCCN2CCOCC2)cc(-c2cc(-c3ccc(O)cc3)ccc2O)n1.
What is the InChIKey of 2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol?
The InChIKey is HSVMDGOACYDAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c23-22-25-19(14-21(26-22)24-7-8-27-9-11-30-12-10-27)18-13-16(3-6-20(18)29)15-1-4-17(28)5-2-15/h1-6,13-14,28-29H,7-12H2,(H3,23,24,25,26).
What are the key properties of 2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol?
2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol has a molecular weight of 407.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 135433099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).